| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 18th, 2008 | 29 | Yes |
Popular Name: 3-methyl-7-propyl-8-[4-(p-tolylmethyl)piperazin-1-yl]purine-2,6-dione 3-methyl-7-propyl-8-[4-(p-tolylm…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.09 | 10.68 | -52.15 | 2 | 8 | 1 | 80 | 397.503 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.09 | 11.14 | -114.72 | 3 | 8 | 2 | 82 | 398.511 | 5 | ↓ |
